ethyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-chloropyridine-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloropyridine-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(6-chloronicotinoyl)amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CN=C(C=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CN=C(C=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O4S/c1-4-28-16-9-6-14(7-10-16)18-13(3)30-21(19(18)22(27)29-5-2)25-20(26)15-8-11-17(23)24-12-15/h6-12H,4-5H2,1-3H3,(H,25,26)